S512-0508 Screening compound: 2-methoxy-5-[3-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyridine

S512-0508 Screening compound: 2-methoxy-5-[3-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyridine
S512-0508 Screening compound: 2-methoxy-5-[3-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S512-0508
2-methoxy-5-[3-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyridine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S512-0508

Molecular Formula

C16H17N3O3 (C16 H17 N3 O3)

Compound Name

2-methoxy-5-[3-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyridine

IUPAC name

2-methoxy-5-[3-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyridine

SMILES

COc(cc1)ncc1C(N(CC1)CC1Oc1cnccc1)=O

InChI

InChI=1S/C16H17N3O3/c1-21-15-5-4-12(9-18-15)16(20)19-8-6-14(11-19)22-13-3-2-7-17-10-13/h2-5,7,9-10,14H,6,8,11H2,1H3/t14-/m1/s1

InChI Key

HQOWOHMZNZDKJQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31961735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-0.98

Polar Surface Area

49.547

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

S512-0508 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S512-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S512-0508?
Check Price and Availability of S512-0508, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S512-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S512-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S512-0508
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S512-0508 available by request